3-pentan-2-ylazepane

C11H23N — CID 107889859

IUPAC3-pentan-2-ylazepane
SMILESCCCC(C)C1CCCCNC1
InChIInChI=1S/C11H23N/c1-3-6-10(2)11-7-4-5-8-12-9-11/h10-12H,3-9H2,1-2H3
InChIKeyQVNHOXMYBPFAOL-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds3

About 3-pentan-2-ylazepane

3-pentan-2-ylazepane (PubChem CID 107889859) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-pentan-2-ylazepane.

Molecular Properties

Compound Name3-pentan-2-ylazepane
PubChem CID107889859
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-pentan-2-ylazepane
SMILESCCCC(C)C1CCCCNC1
InChIInChI=1S/C11H23N/c1-3-6-10(2)11-7-4-5-8-12-9-11/h10-12H,3-9H2,1-2H3
InChIKeyQVNHOXMYBPFAOL-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
butane;pentan-2-ylcyclohexane
CID 143682251
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CID 143225886
1-(azepan-3-yl)pentan-1-ol
CID 67828850
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
N-(cyclopropylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81044779
3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine
CID 102913685
N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757674
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81045714
1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749743
1-(azacyclododec-3-yl)ethanamine;tripropoxysilane
CID 173123595
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-ylazepane?
The IUPAC name of 3-pentan-2-ylazepane (CID 107889859) is 3-pentan-2-ylazepane.
What is the SMILES notation for 3-pentan-2-ylazepane?
The canonical SMILES for 3-pentan-2-ylazepane is CCCC(C)C1CCCCNC1.
What is the InChIKey of 3-pentan-2-ylazepane?
The InChIKey is QVNHOXMYBPFAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-3-6-10(2)11-7-4-5-8-12-9-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-pentan-2-ylazepane?
3-pentan-2-ylazepane has a molecular weight of 169.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-ylazepane is sourced from PubChem (CID 107889859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).